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AutoDock4(Zn): An Improved AutoDock Force Field for Small-Molecule Docking to Zinc Metalloproteins

[Image: see text] Zinc is present in a wide variety of proteins and is important in the metabolism of most organisms. Zinc metalloenzymes are therapeutically relevant targets in diseases such as cancer, heart disease, bacterial infection, and Alzheimer’s disease. In most cases a drug molecule target...

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Bibliografiske detaljer
Main Authors: Santos-Martins, Diogo, Forli, Stefano, Ramos, Maria João, Olson, Arthur J.
Format: Artigo
Sprog:Inglês
Udgivet: American Chemical Society 2014
Online adgang:https://ncbi.nlm.nih.gov/pmc/articles/PMC4144784/
https://ncbi.nlm.nih.gov/pubmed/24931227
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1021/ci500209e
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